N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C18H23ClN4 — CID 112885130

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C18H23ClN4/c1-14-7-11-23(12-8-14)17-6-10-21-18(22-17)20-9-5-15-3-2-4-16(19)13-15/h2-4,6,10,13-14H,5,7-9,11-12H2,1H3,(H,20,21,22)
InChIKeyMJOPTZFGKRLUAI-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112885130) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112885130
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C18H23ClN4/c1-14-7-11-23(12-8-14)17-6-10-21-18(22-17)20-9-5-15-3-2-4-16(19)13-15/h2-4,6,10,13-14H,5,7-9,11-12H2,1H3,(H,20,21,22)
InChIKeyMJOPTZFGKRLUAI-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 112884508
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891919

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112885130) is N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCN(c2ccnc(NCCc3cccc(Cl)c3)n2)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is MJOPTZFGKRLUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-14-7-11-23(12-8-14)17-6-10-21-18(22-17)20-9-5-15-3-2-4-16(19)13-15/h2-4,6,10,13-14H,5,7-9,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 330.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112885130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).